SCHEMBL20340209

SCHEMBL20340209

N#Cc1ccc2cc(-c3cnnc(OCC(F)(F)F)c3)n(C3CC3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 19/20 0.74
CYP11B1 P15538 16/20 0.74
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20338281 0.85 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL20340027 0.85 CYP11B2 (0.70) CYP11B2CYP11B1GABRG2GABRB3GABRA5
SCHEMBL20340213 0.84 CYP11B2 (0.72) CYP11B2CYP11B1
SCHEMBL20340150 0.84 CYP11B2 (0.71) CYP11B2CYP11B1
SCHEMBL20339865 0.83 CYP11B1 (0.70) CYP11B2CYP11B1
SCHEMBL20340190 0.79 CYP11B2 (0.70) CYP11B2CYP11B1
SCHEMBL20340104 0.78 CYP11B2 (0.71) CYP11B2CYP11B1
SCHEMBL20340044 0.78 CYP11B2 (0.69) CYP11B2CYP11B1
SCHEMBL20340004 0.78 CYP11B2 (0.53) CYP11B2CYP11B1
SCHEMBL20340204 0.77 CYP11B2 (0.70) CYP11B2CYP11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562487-A2 METALLOENZYME INHIBITOR COMPOUNDS Selenity Therapeutics (Bermuda), Ltd. (BM) 2019-11-06 EP disclosed
WO-2018125800-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS (BERMUDA), LTD. (BM) 2018-07-05 WO disclosed